4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide

C16H25N3O — CID 106641317

IUPAC4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCCCN1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)19(11-14-5-3-4-10-18-14)15-8-6-13(7-9-15)16(17)20/h6-9,12,14,18H,3-5,10-11H2,1-2H3,(H2,17,20)
InChIKeyPNRUJHGZLNNTBJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.14
Rot. Bonds5

About 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide

4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide (PubChem CID 106641317) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
PubChem CID106641317
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCCCN1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)19(11-14-5-3-4-10-18-14)15-8-6-13(7-9-15)16(17)20/h6-9,12,14,18H,3-5,10-11H2,1-2H3,(H2,17,20)
InChIKeyPNRUJHGZLNNTBJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
CID 106631671
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
The IUPAC name of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide (CID 106641317) is 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide.
What is the SMILES notation for 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
The canonical SMILES for 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide is CC(C)N(CC1CCCCN1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
The InChIKey is PNRUJHGZLNNTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19(11-14-5-3-4-10-18-14)15-8-6-13(7-9-15)16(17)20/h6-9,12,14,18H,3-5,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide?
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 106641317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).