1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane

C22H36N4 — CID 141430042

IUPAC1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane
SMILESC1=CCN(CC2CC2)C(N2CCCN(C3CCN(C4CC4)CC3)CC2)=C1
InChIInChI=1S/C22H36N4/c1-2-11-26(18-19-5-6-19)22(4-1)25-13-3-12-23(16-17-25)21-9-14-24(15-10-21)20-7-8-20/h1-2,4,19-21H,3,5-18H2
InChIKeyZPRWOUJEBGDVHM-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.74
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane

1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane (PubChem CID 141430042) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane
PubChem CID141430042
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane
SMILESC1=CCN(CC2CC2)C(N2CCCN(C3CCN(C4CC4)CC3)CC2)=C1
InChIInChI=1S/C22H36N4/c1-2-11-26(18-19-5-6-19)22(4-1)25-13-3-12-23(16-17-25)21-9-14-24(15-10-21)20-7-8-20/h1-2,4,19-21H,3,5-18H2
InChIKeyZPRWOUJEBGDVHM-UHFFFAOYSA-N
XLogP2.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2H-pyridin-1-yl]propanenitrile
CID 141430029
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 58153963
1-cyclopentyl-4-(cyclopropylmethyl)-1,4-diazepan-5-one
CID 26344581
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
ethane;1-(4-ethoxyphenyl)-4-(1-methylpiperidin-4-yl)-1,4-diazepane;2-methylpropane
CID 142555980
4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 143302173
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
1-cyclopropylpiperidine
CID 10909573
methyl 2-(4-cyclopropyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 66589974

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane (CID 141430042) is 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane is C1=CCN(CC2CC2)C(N2CCCN(C3CCN(C4CC4)CC3)CC2)=C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane?
The InChIKey is ZPRWOUJEBGDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4/c1-2-11-26(18-19-5-6-19)22(4-1)25-13-3-12-23(16-17-25)21-9-14-24(15-10-21)20-7-8-20/h1-2,4,19-21H,3,5-18H2.
What are the key properties of 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane?
1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane has a molecular weight of 356.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 141430042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).