1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one

C19H37N3O — CID 56701957

IUPAC1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(CN1CCCCCC1)NCC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H37N3O/c1-16(2)19(23)22-12-8-18(9-13-22)14-20-17(3)15-21-10-6-4-5-7-11-21/h16-18,20H,4-15H2,1-3H3
InChIKeyFSAIWLQPJKVCNY-UHFFFAOYSA-N
MW323.52 g/mol
LogP2.74
Rot. Bonds6

About 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 56701957) has the molecular formula C19H37N3O and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID56701957
Molecular FormulaC19H37N3O
Molecular Weight323.52 g/mol
Exact Mass323.29
IUPAC Name1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(CN1CCCCCC1)NCC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H37N3O/c1-16(2)19(23)22-12-8-18(9-13-22)14-20-17(3)15-21-10-6-4-5-7-11-21/h16-18,20H,4-15H2,1-3H3
InChIKeyFSAIWLQPJKVCNY-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529802
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 121494294
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 56701957) is 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(CN1CCCCCC1)NCC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FSAIWLQPJKVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-16(2)19(23)22-12-8-18(9-13-22)14-20-17(3)15-21-10-6-4-5-7-11-21/h16-18,20H,4-15H2,1-3H3.
What are the key properties of 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 323.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 56701957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).