N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

C18H29N5O2 — CID 129370880

IUPACN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)on1
InChIInChI=1S/C18H29N5O2/c1-14-10-17(25-20-14)13-21-6-8-22(9-7-21)18(24)19-11-15-4-5-23(12-15)16-2-3-16/h10,15-16H,2-9,11-13H2,1H3,(H,19,24)/t15-/m1/s1
InChIKeyUXBKDVWLVNBVTG-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.29
Rot. Bonds5

About N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 129370880) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID129370880
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)on1
InChIInChI=1S/C18H29N5O2/c1-14-10-17(25-20-14)13-21-6-8-22(9-7-21)18(24)19-11-15-4-5-23(12-15)16-2-3-16/h10,15-16H,2-9,11-13H2,1H3,(H,19,24)/t15-/m1/s1
InChIKeyUXBKDVWLVNBVTG-OAHLLOKOSA-N
XLogP1.29
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 99830316
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 94099552
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 46445443
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119068232
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol
CID 99973824
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 122564074
2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95223619
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (CID 129370880) is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)on1.
What is the InChIKey of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is UXBKDVWLVNBVTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-10-17(25-20-14)13-21-6-8-22(9-7-21)18(24)19-11-15-4-5-23(12-15)16-2-3-16/h10,15-16H,2-9,11-13H2,1H3,(H,19,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 129370880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).