N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide

C13H24N4O — CID 63848069

IUPACN-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)NCC1CCN(CC(=O)NCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-11(2)16-9-12-3-7-17(8-4-12)10-13(18)15-6-5-14/h11-12,16H,3-4,6-10H2,1-2H3,(H,15,18)
InChIKeyPJVWMNXXERLDDJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.34
Rot. Bonds6

About N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide

N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 63848069) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
PubChem CID63848069
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)NCC1CCN(CC(=O)NCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-11(2)16-9-12-3-7-17(8-4-12)10-13(18)15-6-5-14/h11-12,16H,3-4,6-10H2,1-2H3,(H,15,18)
InChIKeyPJVWMNXXERLDDJ-UHFFFAOYSA-N
XLogP0.34
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide (CID 63848069) is N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide is CC(C)NCC1CCN(CC(=O)NCC#N)CC1.
What is the InChIKey of N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is PJVWMNXXERLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)16-9-12-3-7-17(8-4-12)10-13(18)15-6-5-14/h11-12,16H,3-4,6-10H2,1-2H3,(H,15,18).
What are the key properties of N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide?
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63848069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).