N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide

C19H30N4O2 — CID 126507028

IUPACN-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1(N2CCN(Cc3ccccn3)CC2)CCOCC1
InChIInChI=1S/C19H30N4O2/c1-2-18(24)21-16-19(6-13-25-14-7-19)23-11-9-22(10-12-23)15-17-5-3-4-8-20-17/h3-5,8H,2,6-7,9-16H2,1H3,(H,21,24)
InChIKeyPLUIMACRAHRLDA-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.27
Rot. Bonds6

About N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide

N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide (PubChem CID 126507028) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
PubChem CID126507028
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1(N2CCN(Cc3ccccn3)CC2)CCOCC1
InChIInChI=1S/C19H30N4O2/c1-2-18(24)21-16-19(6-13-25-14-7-19)23-11-9-22(10-12-23)15-17-5-3-4-8-20-17/h3-5,8H,2,6-7,9-16H2,1H3,(H,21,24)
InChIKeyPLUIMACRAHRLDA-UHFFFAOYSA-N
XLogP1.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-3-chloro-2-methylpropanamide
CID 139462052
morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97450345
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-[[4-[4-(2-hydroxy-1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-2-pyridin-2-ylpropanamide
CID 126509838
(6-morpholin-4-ylpyridazin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121028249
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-(2-phenylmethoxyphenyl)propanamide
CID 126509782
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide?
The IUPAC name of N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide (CID 126507028) is N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide?
The canonical SMILES for N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide is CCC(=O)NCC1(N2CCN(Cc3ccccn3)CC2)CCOCC1.
What is the InChIKey of N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide?
The InChIKey is PLUIMACRAHRLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-18(24)21-16-19(6-13-25-14-7-19)23-11-9-22(10-12-23)15-17-5-3-4-8-20-17/h3-5,8H,2,6-7,9-16H2,1H3,(H,21,24).
What are the key properties of N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide?
N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 126507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).