[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

C18H29N5O2 — CID 71916757

IUPAC[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C18H29N5O2/c24-18(22-11-13-25-14-12-22)21-9-7-20(8-10-21)15-16-5-6-23(19-16)17-3-1-2-4-17/h5-6,17H,1-4,7-15H2
InChIKeyVWPZRXGUKAQSMN-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.57
Rot. Bonds3

About [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 71916757) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID71916757
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C18H29N5O2/c24-18(22-11-13-25-14-12-22)21-9-7-20(8-10-21)15-16-5-6-23(19-16)17-3-1-2-4-17/h5-6,17H,1-4,7-15H2
InChIKeyVWPZRXGUKAQSMN-UHFFFAOYSA-N
XLogP1.57
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777

Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 71916757) is [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is VWPZRXGUKAQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-18(22-11-13-25-14-12-22)21-9-7-20(8-10-21)15-16-5-6-23(19-16)17-3-1-2-4-17/h5-6,17H,1-4,7-15H2.
What are the key properties of [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71916757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).